CID 12177801

4-(4-bromophenethyl)morpholine

Structural Information

Molecular Formula

C₁₂H₁₆BrNO

SMILES

C1COCCN1CCC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H16BrNO/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10H2

InChIKey

NCUTUFSXCVKNAD-UHFFFAOYSA-N

Compound name

4-[2-(4-bromophenyl)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 269.04153 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.048806	154.8
[M+Na]+	292.030748	163.2
[M-H]-	268.034254	162.2
[M+NH4]+	287.075353	172.1
[M+K]+	308.004688	153.5
[M+H-H2O]+	252.038790	153.5
[M+HCOO]-	314.039731	171.4
[M+CH3COO]-	328.055381	192.6
[M+Na-2H]-	290.016196	161.8
[M]+	269.04098142	170.7
[M]-	269.04207858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe